Metabolomics Structure Database

 
MW REGNO: 42577
Common Name:Vitamin C
Systematic Name:L-ascorbic acid
RefMet Name:Vitamin C
Synonyms:(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one [PubChem Synonyms]
Exact Mass:
176.0321 (neutral)    Calculate m/z:
Formula:C6H8O6
InChIKey:CIWBSHSKHKDKBQ-JLAZNSOCSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Dihydrofurans [C0001983]
ClassyFire subclass:Furanones [C0001982]
ClassyFire direct parent:Butenolides [C0002223]
Massbank MS spectra:View MS spectra
SMILES:C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

Human Pathway links:

HMDB and KEGG pathways containing this metabolite

REACTOME pathways containing this metabolite

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

  logo